RT Journal Article
T1 Effect of lattice shrinking on the migration of water within zeolite LTA
A1 Pérez Carbajo, Julio
A1 Balestra, Salvador R. G.
A1 Calero, Sofía
A1 Merkling, Patrick
K1 Cations
K1 Linde type A
K1 Water
K1 Hydrophilicity
K1 Zeolite A
K1 NaA
K1 Adsorption
AB Water adsorption within zeolites of the Linde Type A (LTA) structure plays an important role in processes of water removal from solvents. For this purpose, knowing in which adsorption sites water is preferably found is of interest. In this paper, the distribution of water within LTA is investigated in several aluminum-substituted frameworks ranging from a Si:Al ratio of 1 (maximum substitution, framework is hydrophilic) to a Si:Al ratio of 191 (almost pure siliceous framework, it is hydrophobic). The counterion is sodium. In the hydrophobic framework, water is found in the large α-cages, whereas in the most hydrophilic frameworks, water is found preferably in the small β-cages. For frameworks with moderate aluminum substitution, β-cages are populated first, but at intermediate loading water favors α-cages instead. Framework composition and pressure therefore drive water molecules selectively towards α- or β-cages.
PB Elsevier
SN 1387-1811
YR 2020
FD 2020
LK https://hdl.handle.net/10433/19940
UL https://hdl.handle.net/10433/19940
LA en
NO Microporous and Mesoporous Materials volume 293 (2020) 109808-1 109808-6
NO This work was supported by the Spanish Ministerio de Economía y Competitividad (MINECO) through the grant number CTQ2016-80206-P. We thank C3UPO for the HPC support. S.R.G.B. thanks Spanish Ministerio de Economía y Competitividad (MINECO) for his predoctoral and postdoctoral fellowship (BES-2014-067825 from CTQ2013-48396-P).
NO Universidad Pablo de Olavide, Departamento de Sistemas Físicos, Químicos y Naturales
DS RIO
RD May 23, 2026